The Joint Use of Catastrophe Theory and Electron Localization Function to Characterize Molecular Mechanisms. A Density Functional Study of the Diels−Alder Reaction between Ethylene and 1,3-Butadiene

2003 ◽  
Vol 107 (31) ◽  
pp. 6014-6024 ◽  
Author(s):  
Slawomir Berski ◽  
Juan Andrés ◽  
Bernard Silvi ◽  
Luis R. Domingo
Keyword(s):  
Catastrophe Theory ◽  
Density Functional ◽  
Molecular Mechanisms ◽  
Alder Reaction ◽  
Diels Alder ◽  
Electron Localization Function ◽  
Functional Study ◽  
Electron Localization ◽  
Localization Function ◽  
Diels Alder Reaction

Synthesis of 2H-Naphtho[2,3-b]thiopyranoquinones and Density Functional Study for the Diels-Alder Reaction of a Benzothiopyranoquinone

Heterocycles ◽  
2000 ◽  
Vol 53 (3) ◽  
pp. 585 ◽  
Author(s):  
Ricardo A. Tapia ◽  
Miriam C. Garate ◽  
Jaime A. Valderrama ◽  
Fernando Zuloaga ◽  
Paul R. Jenkins ◽  
...  
Keyword(s):  
Density Functional ◽  
Alder Reaction ◽  
Diels Alder ◽  
Functional Study ◽  
Density Functional Study ◽  
Diels Alder Reaction

ChemInform Abstract: Synthesis of 2H-Naphtho[2,3-b]thiopyranoquinones and Density Functional Study for the Diels-Alder Reaction of a Benzothiopyranoquinone.

ChemInform ◽  
2010 ◽  
Vol 31 (26) ◽  
pp. no-no
Author(s):  
Ricardo A. Tapia ◽  
Miriam C. Garate ◽  
Jaime A. Valderrama ◽  
Fernando Zuloaga ◽  
Paul R. Jenkins ◽  
...  
Keyword(s):  
Density Functional ◽  
Alder Reaction ◽  
Diels Alder ◽  
Functional Study ◽  
Density Functional Study ◽  
Diels Alder Reaction

Density functional study of the effect of cation exchanged Sn-Beta zeolite for the diels-alder reaction between furan and methyl acrylate

2020 ◽  
Vol 754 ◽  
pp. 137743
Author(s):  
Veerachart Paluka ◽  
Thana Maihom ◽  
Chompunuch Warakulwit ◽  
Pemikar Srifa ◽  
Bundet Boekfa ◽  
...  
Keyword(s):  
Methyl Acrylate ◽  
Density Functional ◽  
Alder Reaction ◽  
Diels Alder ◽  
Beta Zeolite ◽  
Functional Study ◽  
Density Functional Study ◽  
Diels Alder Reaction
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